tert-butyl 5-(7-fluoro-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

C17H19FN4O3 — CID 171085749

IUPACtert-butyl 5-(7-fluoro-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC=C(c2cnc3cc(F)c(=O)[nH]c3n2)C1
InChIInChI=1S/C17H19FN4O3/c1-17(2,3)25-16(24)22-6-4-5-10(9-22)13-8-19-12-7-11(18)15(23)21-14(12)20-13/h5,7-8H,4,6,9H2,1-3H3,(H,20,21,23)
InChIKeyWZFPIGOHYWICTB-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.48
Rot. Bonds1

About tert-butyl 5-(7-fluoro-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 5-(7-fluoro-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 171085749) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is tert-butyl 5-(7-fluoro-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(7-fluoro-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID171085749
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Nametert-butyl 5-(7-fluoro-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC=C(c2cnc3cc(F)c(=O)[nH]c3n2)C1
InChIInChI=1S/C17H19FN4O3/c1-17(2,3)25-16(24)22-6-4-5-10(9-22)13-8-19-12-7-11(18)15(23)21-14(12)20-13/h5,7-8H,4,6,9H2,1-3H3,(H,20,21,23)
InChIKeyWZFPIGOHYWICTB-UHFFFAOYSA-N
XLogP2.48
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 5-(5-hydroxy-7-oxo-8H-1,8-naphthyridin-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 171085553
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tert-butyl 4-(3-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)piperidine-1-carboxylate;ethane
CID 176552618
tert-butyl 5-(5-nitro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
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tert-butyl 5-(4-bromo-3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170717033
tert-butyl 5-pyridazin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 169312691
tert-butyl 5-(3-amino-2,6-dimethyl-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 146284987
tert-butyl 5-(5H-cyclopenta[b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 158814360
tert-butyl 5-(1H-pyrrol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 164584630
tert-butyl 5-(1-methyl-2-oxo-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 166162669
tert-butyl 5-[2-(3-fluoroanilino)-6-pyridin-3-yl-4-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 167370413
tert-butyl 5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(7-fluoro-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 5-(7-fluoro-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 171085749) is tert-butyl 5-(7-fluoro-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-(7-fluoro-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 5-(7-fluoro-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CCC=C(c2cnc3cc(F)c(=O)[nH]c3n2)C1.
What is the InChIKey of tert-butyl 5-(7-fluoro-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is WZFPIGOHYWICTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-17(2,3)25-16(24)22-6-4-5-10(9-22)13-8-19-12-7-11(18)15(23)21-14(12)20-13/h5,7-8H,4,6,9H2,1-3H3,(H,20,21,23).
What are the key properties of tert-butyl 5-(7-fluoro-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 5-(7-fluoro-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 346.36 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(7-fluoro-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 171085749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).